Molecule card · MolClass #47364
24833121
24833121: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24833121Mitochondrial Fusion · compound_name
- MolClass ID
- 47364
- InChIKey
- RACRPBNIJVJILH-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)C(CNC1=NS(=O)(=O)c2ccccc12)c3ccco3
- Standard InChI
- InChI=1S/C15H17N3O3S/c1-18(2)12(13-7-5-9-21-13)10-16-15-11-6-3-4-8-14(11)22(19,20)17-15/h3-9,12H,10H2,1-2H3,(H,16,17)
- Stored Murcko scaffold
- n1sc2ccccc2c1NCCc3occc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.451
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24833121